737 subroutine pawtab_free_0D(Pawtab)
738 739 740 !This section has been created automatically by the script Abilint (TD).
741 !Do not modify the following lines by hand.
742 #undef ABI_FUNC
743 #define ABI_FUNC 'pawtab_free_0D'
744 !End of the abilint section
745 746 implicit none
747 748 !Arguments ------------------------------------
749 !arrays
750 type(Pawtab_type),intent(inout) :: Pawtab
751 752 !Local variables-------------------------------
753 754 ! *************************************************************************
755 756 !@Pawtab_type
757 758 if (allocated(Pawtab%indklmn)) then
759 LIBPAW_DEALLOCATE(Pawtab%indklmn)
760 end if
761 if (allocated(Pawtab%indlmn)) then
762 LIBPAW_DEALLOCATE(Pawtab%indlmn)
763 end if
764 if (allocated(Pawtab%klmntomn)) then
765 LIBPAW_DEALLOCATE(Pawtab%klmntomn)
766 end if
767 if (allocated(Pawtab%kmix)) then
768 LIBPAW_DEALLOCATE(Pawtab%kmix)
769 end if
770 if (allocated(Pawtab%lnproju)) then
771 LIBPAW_DEALLOCATE(Pawtab%lnproju)
772 end if
773 if (allocated(Pawtab%coredens)) then
774 LIBPAW_DEALLOCATE(Pawtab%coredens)
775 end if
776 if (allocated(Pawtab%dij0)) then
777 LIBPAW_DEALLOCATE(Pawtab%dij0)
778 end if
779 if (allocated(Pawtab%dltij)) then
780 LIBPAW_DEALLOCATE(Pawtab%dltij)
781 end if
782 if (allocated(Pawtab%dshpfunc)) then
783 LIBPAW_DEALLOCATE(Pawtab%dshpfunc)
784 end if
785 if (allocated(Pawtab%eijkl)) then
786 LIBPAW_DEALLOCATE(Pawtab%eijkl)
787 end if
788 if (allocated(Pawtab%eijkl_sr)) then
789 LIBPAW_DEALLOCATE(Pawtab%eijkl_sr)
790 end if
791 if (allocated(Pawtab%euijkl)) then
792 LIBPAW_DEALLOCATE(Pawtab%euijkl)
793 end if
794 if (allocated(Pawtab%euij_fll)) then
795 LIBPAW_DEALLOCATE(Pawtab%euij_fll)
796 end if
797 if (allocated(Pawtab%fk)) then
798 LIBPAW_DEALLOCATE(Pawtab%fk)
799 end if
800 if (allocated(Pawtab%gammaij)) then
801 LIBPAW_DEALLOCATE(Pawtab%gammaij)
802 end if
803 if (allocated(Pawtab%gnorm)) then
804 LIBPAW_DEALLOCATE(Pawtab%gnorm)
805 end if
806 if (allocated(Pawtab%ex_cvij)) then
807 LIBPAW_DEALLOCATE(Pawtab%ex_cvij)
808 end if
809 if (allocated(Pawtab%kij)) then
810 LIBPAW_DEALLOCATE(Pawtab%kij)
811 end if
812 if (allocated(Pawtab%nabla_ij)) then
813 LIBPAW_DEALLOCATE(Pawtab%nabla_ij)
814 end if
815 if (allocated(Pawtab%orbitals)) then
816 LIBPAW_DEALLOCATE(Pawtab%orbitals)
817 end if
818 if (allocated(Pawtab%phi)) then
819 LIBPAW_DEALLOCATE(Pawtab%phi)
820 end if
821 if (allocated(Pawtab%phiphj)) then
822 LIBPAW_DEALLOCATE(Pawtab%phiphj)
823 end if
824 if (allocated(Pawtab%phiphjint)) then
825 LIBPAW_DEALLOCATE(Pawtab%phiphjint)
826 end if
827 if (allocated(Pawtab%ph0phiint)) then
828 LIBPAW_DEALLOCATE(Pawtab%ph0phiint)
829 end if
830 if (allocated(Pawtab%qgrid_shp)) then
831 LIBPAW_DEALLOCATE(Pawtab%qgrid_shp)
832 end if
833 if (allocated(Pawtab%qijl)) then
834 LIBPAW_DEALLOCATE(Pawtab%qijl)
835 end if
836 if (allocated(Pawtab%rad_for_spline)) then
837 LIBPAW_DEALLOCATE(Pawtab%rad_for_spline)
838 end if
839 if (allocated(Pawtab%rhoij0)) then
840 LIBPAW_DEALLOCATE(Pawtab%rhoij0)
841 end if
842 if (allocated(Pawtab%shape_alpha)) then
843 LIBPAW_DEALLOCATE(Pawtab%shape_alpha)
844 end if
845 if (allocated(Pawtab%shape_q)) then
846 LIBPAW_DEALLOCATE(Pawtab%shape_q)
847 end if
848 if (allocated(Pawtab%shapefunc)) then
849 LIBPAW_DEALLOCATE(Pawtab%shapefunc)
850 end if
851 if (allocated(Pawtab%shapefncg)) then
852 LIBPAW_DEALLOCATE(Pawtab%shapefncg)
853 end if
854 if (allocated(Pawtab%sij)) then
855 LIBPAW_DEALLOCATE(Pawtab%sij)
856 end if
857 if (allocated(Pawtab%tcoredens)) then
858 LIBPAW_DEALLOCATE(Pawtab%tcoredens)
859 end if
860 if (allocated(Pawtab%tcorespl)) then
861 LIBPAW_DEALLOCATE(Pawtab%tcorespl)
862 end if
863 if (allocated(Pawtab%tphi)) then
864 LIBPAW_DEALLOCATE(Pawtab%tphi)
865 end if
866 if (allocated(Pawtab%tphitphj)) then
867 LIBPAW_DEALLOCATE(Pawtab%tphitphj)
868 end if
869 if (allocated(Pawtab%tproj)) then
870 LIBPAW_DEALLOCATE(Pawtab%tproj)
871 end if
872 if (allocated(Pawtab%tvalespl)) then
873 LIBPAW_DEALLOCATE(Pawtab%tvalespl)
874 end if
875 if (allocated(Pawtab%vee)) then
876 LIBPAW_DEALLOCATE(Pawtab%vee)
877 end if
878 if (allocated(Pawtab%Vex)) then
879 LIBPAW_DEALLOCATE(Pawtab%Vex)
880 end if
881 if (allocated(Pawtab%vhtnzc)) then
882 LIBPAW_DEALLOCATE(Pawtab%vhtnzc)
883 end if
884 if (allocated(Pawtab%VHnZC)) then
885 LIBPAW_DEALLOCATE(Pawtab%VHnZC)
886 end if
887 if (allocated(Pawtab%vminushalf)) then
888 LIBPAW_DEALLOCATE(Pawtab%vminushalf)
889 end if
890 if (allocated(Pawtab%zioneff)) then
891 LIBPAW_DEALLOCATE(Pawtab%zioneff)
892 end if
893 894 call wvlpaw_free(Pawtab%wvl)
895 896 ! === Reset all flags and sizes ===
897 898 !CAUTION: do not reset these flags
899 !They are set from input data and must be kept
900 !Pawtab%has_kij=0
901 !Pawtab%has_tproj=0
902 !Pawtab%has_tvale=0
903 !Pawtab%has_vhtnzc=0
904 !Pawtab%has_vhnzc=0
905 !Pawtab%has_vminushalf=0
906 !Pawtab%has_nabla=0
907 !Pawtab%has_shapefncg=0
908 !Pawtab%has_wvl=0
909 910 Pawtab%usetcore=0
911 Pawtab%usexcnhat=0
912 Pawtab%useexexch=0
913 Pawtab%usepawu=0
914 Pawtab%usepotzero=0
915 Pawtab%usespnorb=0
916 Pawtab%mqgrid=0
917 Pawtab%mqgrid_shp=0
918 919 Pawtab%basis_size=0
920 Pawtab%ij_proj=0
921 Pawtab%ij_size=0
922 Pawtab%lcut_size=0
923 Pawtab%l_size=0
924 Pawtab%lexexch=-1
925 Pawtab%lmn_size=0
926 Pawtab%lmn2_size=0
927 Pawtab%lmnmix_sz=0
928 Pawtab%lpawu=-1
929 Pawtab%nproju=0
930 Pawtab%mesh_size=0
931 Pawtab%partialwave_mesh_size=0
932 Pawtab%core_mesh_size=0
933 Pawtab%vminus_mesh_size=0
934 Pawtab%tnvale_mesh_size=0
935 Pawtab%shape_type=-10
936 937 end subroutine pawtab_free_0D

m_pawtap/pawtab_get_lsize [ Functions ]

From an array of pawtab datastructures, get, for each atom, the value
of "l_size" parameter.
l_size is the maximum value of l accessible by a product of 2 partial waves;
it may be cut by dtset%pawlcutd parameter

INPUTS

[mpi_atmtab(:)]=--optional-- indexes of the atoms treated by current proc
natom= number of atoms (may be a local or absolute number of atoms)
typat(:)= list of atom types